Evaluation of Spectroscopic, Molecular Modeling and UV protective cotton fabric Studies over Inclusion Complexes of p-aminobenzoic acid with β-Cyclodextrin

Abstract

The inclusion complex of β-cyclodextrin (β-CD) and p-aminobenzoic acid (PABA) was prepared using the co-precipitation method. β-CD and PABA ratio was accurately weighed with 1:1 M ratio. The concentration β-CD varied from zero to 16×10^-3 mol dm^-3 The inclusion complexation between PABA and β-CD by using Ultra violet and fluorescence spectral analysis methods are studied. The stoichiometry and binding constant of the PABA: β-CD inclusion complex by using Benesi-Hildebrand relation have been determined. The formation of inclusion complex is predicted by semi empirical quantum mechanical calculations and are further evaluated by using FT-IR spectral data and molecular docking analysis. In addition, ultra violet protective factor of the PABA treated cotton fabric and PABA: β-CD treated cotton fabric is investigated. A mechanism is also proposed for this inclusion complex.